(4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3,6-Dihydroxy-6,10,13-Trimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
[CAS# 123202-27-7]

Identification

• Name: (4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3,6-Dihydroxy-6,10,13-Trimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
• Synonyms: (4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3,6-Dihydroxy-6,10,13-Trimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Valeric Acid; (3Alpha,5Beta,6Alpha)-3,6-Dihydroxy-6-Methylcholan-24-Oic Acid; 3,6-Dihydroxy-6-Methylcholanoic Acid
• Molecular Formula: C₂₅H₄₂O₄
• Molecular Weight: 406.60
• CAS Registry Number: 123202-27-7
• SMILES: [C@H]13[C@@H]([C@@]2([C@H](C(O)(C1)C)C[C@H](O)CC2)C)CC[C@]4([C@H]3CC[C@@H]4[C@@H](CCC(=O)O)C)C
• InChI: 1S/C25H42O4/c1-15(5-8-22(27)28)18-6-7-19-17-14-25(4,29)21-13-16(26)9-11-24(21,3)20(17)10-12-23(18,19)2/h15-21,26,29H,5-14H2,1-4H3,(H,27,28)/t15-,16-,17+,18-,19+,20+,21-,23-,24-,25?/m1/s1
• InChIKey: WAUIOEWDALWOPQ-YLZUBLSRSA-N